Mol:BMSUM5Ae--01
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
17 17 0 0 1 0 0 0 0 0999 V2000
4.5768 0.4199 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2678 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0768 -1.1189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8858 -0.5311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8369 -0.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 1.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 1.1244 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.0991 0.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8900 2.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0768 -2.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5768 0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5800 -0.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5311 -0.4800 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.2221 -1.4311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4822 -0.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8401 0.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 12 1 0 0 0 0
4 12 1 6 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
4 5 1 0 0 0 0
1 6 1 4 0 0 0
3 11 1 1 0 0 0
5 13 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 9 2 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
14 16 2 0 0 0 0
S SKP 7
ID BMSUM5Ae--01
NAME 2-Deoxy-D-ribose 1,5-bisphosphate
FORMULA C5H12O10P2
EXACTMASS 293.9905
AVERAGEMASS 294.0903
SMILES O[C@@H](C1)[C@H](OC1OP(O)(O)=O)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04175
M END
</pre>
